5-[[2-(bromomethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2,3-dihydro-1H-indene

C18H23Br — CID 66050152

IUPAC5-[[2-(bromomethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2,3-dihydro-1H-indene
SMILESBrCC1(Cc2ccc3c(c2)CCC3)CC2CCC1C2
InChIInChI=1S/C18H23Br/c19-12-18(11-14-5-7-17(18)9-14)10-13-4-6-15-2-1-3-16(15)8-13/h4,6,8,14,17H,1-3,5,7,9-12H2
InChIKeyVOJUNTHWEHNCGE-UHFFFAOYSA-N
MW319.29 g/mol
LogP4.92
Rot. Bonds3

About 5-[[2-(bromomethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2,3-dihydro-1H-indene

5-[[2-(bromomethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2,3-dihydro-1H-indene (PubChem CID 66050152) has the molecular formula C18H23Br and a molecular weight of 319.29 g/mol. Its IUPAC name is 5-[[2-(bromomethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-[[2-(bromomethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2,3-dihydro-1H-indene
PubChem CID66050152
Molecular FormulaC18H23Br
Molecular Weight319.29 g/mol
Exact Mass318.10
IUPAC Name5-[[2-(bromomethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2,3-dihydro-1H-indene
SMILESBrCC1(Cc2ccc3c(c2)CCC3)CC2CCC1C2
InChIInChI=1S/C18H23Br/c19-12-18(11-14-5-7-17(18)9-14)10-13-4-6-15-2-1-3-16(15)8-13/h4,6,8,14,17H,1-3,5,7,9-12H2
InChIKeyVOJUNTHWEHNCGE-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(bromomethyl)-2-[(4-ethylphenyl)methyl]bicyclo[2.2.1]heptane
CID 66049067
2-(2,3-dihydro-1H-inden-5-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 65020057
2-(bromomethyl)-2-[(2,5-difluorophenyl)methyl]bicyclo[2.2.1]heptane
CID 66049494
2-(bromomethyl)-2-[(2-methylphenyl)methyl]bicyclo[2.2.1]heptane
CID 66050372
N-[[2-[(3,4-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 63522350
N-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 63521474
5-[[2-(bromomethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-1-ethyl-3-methylpyrazole
CID 66049499
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449763
N-(bromomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115261521
N-[[2-[(4-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 63521648
1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylcycloheptan-1-ol
CID 65084707
N-(2-bromoethyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)cyclopropanamine
CID 80669807

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(bromomethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2,3-dihydro-1H-indene?
The IUPAC name of 5-[[2-(bromomethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2,3-dihydro-1H-indene (CID 66050152) is 5-[[2-(bromomethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-[[2-(bromomethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 5-[[2-(bromomethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2,3-dihydro-1H-indene is BrCC1(Cc2ccc3c(c2)CCC3)CC2CCC1C2.
What is the InChIKey of 5-[[2-(bromomethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2,3-dihydro-1H-indene?
The InChIKey is VOJUNTHWEHNCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Br/c19-12-18(11-14-5-7-17(18)9-14)10-13-4-6-15-2-1-3-16(15)8-13/h4,6,8,14,17H,1-3,5,7,9-12H2.
What are the key properties of 5-[[2-(bromomethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2,3-dihydro-1H-indene?
5-[[2-(bromomethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2,3-dihydro-1H-indene has a molecular weight of 319.29 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(bromomethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 66050152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).